Search Results - "Dasararaju, Gayathri"
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Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)- p -cymene complexes with acylthiourea ligands- in vitro and in vivo studies
Published in Dalton transactions : an international journal of inorganic chemistry (16-11-2021)“…Six different acylthiourea ligands (L1-L6) and their corresponding Ru(II)- -cymene complexes (P1-P6) were designed to explore the structure-activity…”
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Enhanced anticancer activity of half-sandwich Ru(II)-p-cymene complex bearing heterocyclic hydrazone ligand
Published in Inorganic chemistry communications (01-09-2020)“…Ru(II)-p-cymene complex bearing indole hydrazone ligand was synthesized and characterized. The complex showed greater anticancer activity against A549 and HeLa…”
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Effective inhibition of insulin amyloid fibril aggregation by nickel(II) complexes containing heterocyclic thiosemicarbazones
Published in European biophysics journal (01-12-2021)“…The sensitivity of protein molecular structures makes them susceptible to aggregation in conditions unfavorable for the maintenance of their native folds. The…”
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Synthesis, crystal structure, Hirshfeld analysis and in silico studies of 2-chloro-3-(p-tolyl)-3,4-dihydro-2H-benzo[e][1,3,2]oxazaphosphinine 2-sulfide
Published in Results in Chemistry (01-01-2022)“…Molecular structure of 2-chloro-3-(p-tolyl)-3,4-dihydro-2H-benzo[e][1,3,2]oxazaphosphinine 2-sulfide was determined using single crystal X-ray diffraction…”
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Crystal structures of the Schiff base derivatives ( E )- N ′-[(1 H -indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and ( E )- N -methyl-2-[1-(2-oxo-2 H -chromen-3-yl)ethylidene]hydrazinecarbothioamide
Published in Acta crystallographica. Section E, Crystallographic communications (01-04-2017)“…The crystal structures of two title Schiff base derivatives, C 15 H 12 N 4 O·C 2 H 6 O ( 1·EtOH ) and C 13 H 13 N 3 O 2 S ( 2 ), were determined at 110 and 100…”
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Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)acetamide
Published in Acta crystallographica. Section E, Crystallographic communications (01-07-2015)“…In the title compound, C8H8N2O2, the acetamide unit is inclined to the furan ring by 76.7 (1)°. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O…”
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Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)-3-(3-nitro-phen-yl)propanamide
Published in Acta crystallographica. Section E, Crystallographic communications (01-08-2015)“…In the title compound, C15H11N3O4, the acetamide group is inclined to the furan ring by 66.5 (1)°. The dihedral angle between the furan ring and the benzene…”
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Crystal structure of 2-cyano- N -(furan-2-ylmethyl)acetamide. Corrigendum
Published in Acta crystallographica. Section E, Crystallographic communications (01-08-2015)“…The address of one of the authors in the paper by Subhadramma et al. [ Acta Cryst. (2015), E 71 , o455–o456] is corrected…”
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Synthesis of Palladium(II) Complexes via Michael Addition: Antiproliferative Effects through ROS-Mediated Mitochondrial Apoptosis and Docking with SARS-CoV‑2
Published in Inorganic chemistry (07-12-2020)“…Metal complexes have numerous applications in the current era, particularly in the field of pharmaceutical chemistry and catalysis. A novel synthetic approach…”
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Discovery of potential TAAR1 agonist targeting neurological and psychiatric disorders: An in silico approach
Published in International journal of biological macromolecules (01-04-2024)“…Trace amine-associated receptor 1 (TAAR1) is a G-protein-coupled receptor which is primarily expressed in the brain. It is activated by trace amines which play…”
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Orphan receptor GPR88 as a potential therapeutic target for CNS disorders - an in silico approach
Published in Journal of biomolecular structure & dynamics (12-06-2024)“…The G-protein-coupled receptors are a part of the largest and most physiologically relevant family of membrane proteins. One-third of the medications, now on…”
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Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi-target inhibitors of SARS-CoV-2 and cytotoxicity
Published in Journal of molecular structure (15-02-2022)“…•Synthesis and characterization of two heterocyclic azole compounds.•Theoretical studies were ascertained for azole compounds.•Azole compounds showed effective…”
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Synthesis, cytotoxicity and docking studies (with SARS-CoV-2) of water-soluble binuclear Ru-p-cymene complex holding indole thiosemicarbazone ligand
Published in Inorganic chemistry communications (01-12-2021)“…Piano-stool water-soluble binuclear organometallic Ru-p-cymene complex was synthesized and characterized. The complex exhibited superior activity than…”
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Anti-Cancer Compounds from Terrestrial and Marine Resources -In silico and Experimental Studies
Published in Current computer-aided drug design (01-01-2021)“…In both developing and developed countries, cancer is among the leading causes of millions of deaths. The incidence of cancer is increasing due to…”
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Synthesis, spectroscopic characterizations, single crystal X-ray analysis, DFT calculations, in vitro biological evaluation and in silico evaluation studies of thiosemicarbazones based 1,3,4-thiadiazoles
Published in Journal of molecular structure (05-02-2023)“…•Two pyrene-based thiosemicarbazones and their cyclized thiadiazole compounds synthesized and characterized.•The molecular structure of both types was…”
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Non-carboxylic acid inhibitors of aldose reductase based on N-substituted thiazolidinedione derivatives
Published in European journal of medicinal chemistry (05-11-2021)“…In search of dually active PPAR-modulators/aldose reductase (ALR2) inhibitors, 16 benzylidene thiazolidinedione derivatives, previously reported as partial…”
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Synthesis, crystal structure, and in vitro and in silico molecular docking of novel acyl thiourea derivatives
Published in Journal of molecular structure (15-08-2015)“…A series of six biologically active acyl thiourea compounds has been synthesized and characterized by various spectroscopic techniques. Three dimensional…”
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Virtual screening, molecular docking and dynamics simulation studies to identify potential agonists of orphan receptor GPR78 targeting CNS disorders
Published in Journal of receptors and signal transduction (24-09-2024)“…G protein-coupled receptors (GPCRs) are important targets in drug discovery because of their roles in physiological and pathological processes. Orphan GPCRs…”
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Multifaceted exploration of acylthiourea compounds: In vitro cytotoxicity, DFT calculations, molecular docking and dynamics simulation studies
Published in International journal of biological macromolecules (01-10-2024)“…This study reports the synthesis and analysis of biologically active acylthiourea compounds (1 and 2) with a cyclohexyl moiety. The compounds were…”
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